potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane

C22H46KNO2-2 — CID 162756535

IUPACpotassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane
SMILESCCCCCCCCCCCCCCCC([NH-])=O.[CH2-]OCC(C)C.[CH3-].[K+]
InChIInChI=1S/C16H33NO.C5H11O.CH3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2)4-6-3;;/h2-15H2,1H3,(H2,17,18);5H,3-4H2,1-2H3;1H3;/q;2*-1;+1/p-1
InChIKeyOGJVZAANZOZETF-UHFFFAOYSA-M
MW395.71 g/mol
LogP4.95
Rot. Bonds16

About potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane

potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane (PubChem CID 162756535) has the molecular formula C22H46KNO2-2 and a molecular weight of 395.71 g/mol. Its IUPAC name is potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane.

Molecular Properties

Compound Namepotassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane
PubChem CID162756535
Molecular FormulaC22H46KNO2-2
Molecular Weight395.71 g/mol
Exact Mass395.32
IUPAC Namepotassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane
SMILESCCCCCCCCCCCCCCCC([NH-])=O.[CH2-]OCC(C)C.[CH3-].[K+]
InChIInChI=1S/C16H33NO.C5H11O.CH3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2)4-6-3;;/h2-15H2,1H3,(H2,17,18);5H,3-4H2,1-2H3;1H3;/q;2*-1;+1/p-1
InChIKeyOGJVZAANZOZETF-UHFFFAOYSA-M
XLogP4.95
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.71
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

sodium hexanoylazanide
CID 88638958
bis(2-methylpropyl) (Z)-2,3-dihexylbut-2-enedioate
CID 88549415
bis(2-methylpropyl) (Z)-2-octyl-3-pentylbut-2-enedioate
CID 88548841
bis(2-methylpropyl) (Z)-2-butyl-3-hexylbut-2-enedioate
CID 88549378
bis(2-methylpropyl) (Z)-2,3-dipentylbut-2-enedioate
CID 22227592
bis(2-methylpropyl) 2-octyl-3-propylbut-2-enedioate
CID 123641476
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362
2-methylpropyl (E)-octadec-10-enoate
CID 21291237
bis(2-methylpropyl) 2-(2,2-dimethylpropyl)-3-octylbut-2-enedioate
CID 123228560
2-methylhexadecan-4-one
CID 63411798
potassium;hydride;methyl octadecanoate
CID 175153010
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane?
The IUPAC name of potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane (CID 162756535) is potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane.
What is the SMILES notation for potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane?
The canonical SMILES for potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane is CCCCCCCCCCCCCCCC([NH-])=O.[CH2-]OCC(C)C.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane?
The InChIKey is OGJVZAANZOZETF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H33NO.C5H11O.CH3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2)4-6-3;;/h2-15H2,1H3,(H2,17,18);5H,3-4H2,1-2H3;1H3;/q;2*-1;+1/p-1.
What are the key properties of potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane?
potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane has a molecular weight of 395.71 g/mol, XLogP of 4.95, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane is sourced from PubChem (CID 162756535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).